First principles molecular dynamics simulations for amorphous HfO 2 and Hf1-xSixO2 systems

Materials Science- Poland

Volumn 23, Issue 2, 2005, Pages 401-406

  Ikeda, Minoru ^a   Kresse, Georg ^b   Nabatame, Toshihide ^a   Toriumi, Akira ^a,c  

^a NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY AIST   (Japan)

^b UNIVERSITY OF VIENNA   (Austria)

^c UNIVERSITY OF TOKYO   (Japan)

Author keywords

Amorphous; First principles; Hf1 xSixO2; HfO2; Molecular dynamics

Indexed keywords

AMORPHOUS MATERIALS; APPROXIMATION THEORY; COMPUTER SIMULATION; CONCENTRATION (PROCESS); CRYSTAL ORIENTATION; GRAIN BOUNDARIES; MOLECULAR DYNAMICS; MOS DEVICES; PHASE SEPARATION; PROBABILITY DENSITY FUNCTION; SILICA;

AMORPHOUS; FIRST PRINCIPLES; HF1-XSIXO2; HFO2;

HAFNIUM COMPOUNDS;

EID: 22944463360     PISSN: 01371339     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Conference Paper

References (12)

1. WILK G.D., WALLACE R.M., ANTHONY J.M., J. Appl. Phys., 89 (2001), 5243.
2. FOSTER A.S., SHLUGER A.L., NIEMINEN R.M., Phys. Rev. Lett. 89 (2002), 225901;
3. FOSTER A.S., LOPEZ GEJO F.L., SHLUGER A.L., NIEMINEN R.M., Phys. Rev. B 65 (2002),174117.
4. IKEDA M., KRESSE G., NABATAME T., TORIUMI A., Extended Abstracts of Solid State Devices and Materials (SSDM) 2003, (2003), 824;
5. MRS 2003 Fall Meeting, 786 (2003), 17.
6. KRESSE G., HAFNER J., Phys. Rev. B 47 (1993), 558;
7. KRESSE G., Technischen Universität Wien, Thesis, 1993.
8. BLÖCHL P.E., Phys. Rev. B 50, 17953 (1994).
9. KRESSE G., JOUBERT D., Phys.Rev. B59 (1998), 1758.
10. VANDERBILT D.,ZHAO X., presented at MRS 2003 Fall Meeting in Boston;
11. ZHAO X., CERESOLI D., VANDERBILT D., Phys. Rev. B, 71 (2005), 085107.
12. IKEDA M., KRESSE G., NABATAME T., TORIUMI A., Extended Abstracts of SSDM 2004 (2004), 798.